The support vector machine (SVM), as a novel type of learning machine, for the first time, was used to develop a Quantitative Structure-Property Relationship (QSPR) model of the heat capacity of a diverse set of 182 compounds based on the molecular descriptors calculated from the structure alone. Multiple linear regression (MLR) and radial basis function networks (RBFNNs) were also utilized to ...

The nearest neighbour (NN) classifier is often known as a ‘lazy’ approach but it is still widely used particularly in the systems that require pattern matching. Many algorithms have been developed based on NN in an attempt to improve classification accuracy and to reduce the time taken, especially in large data sets. This paper proposes a new classification technique based on kNearest Neighbour...

the effects of different climatic, soil, geometric, and management factors on soil organic carbon (soc) degradation and sequestration potential was evaluated in the semi-arid zone of mereg watershed, west of iran. two nonparametric methods, viz. classification and regression tree (cart) and feed forward back propagation artificial neural network (ann) were compared with parametric multivariate ...

1-[4-(2-alkylaminoethoxy)phenylcarbonyl]-3,5-bis(arylidene)-4-piperidones are a novel class of potent cytotoxic agents. these compounds demonstrate low micromolar to submicromolar ic50 values against human molt 4/c8 and cem t-lymphocytes and murine leukemia l1210 cells. in this study, a comparative qsar investigation was performed on a series of 3,5-bis(arylidene)-4-piperidones using different ...

In this paper river stage discharge models using Adaptive NeuroFuzzy Inference System (ANFIS) and Linear Multiple Regression (MLR) methods have been developed. This paper also investigates the best model to forecast river discharge. From the literature it is clear that ANN models and Fuzzy logic models are quite applicable on river stage discharge modelling. Hence this present study carried out...

In this paper, the quantitative structure activity-relationship (QSAR) of the CCR2b receptor inhibitors was scrutinized. Firstly, the molecular descriptors were calculated using the Dragon package. Then, the stepwise multiple linear regressions (SW-MLR) and the genetic algorithm multiple linear regressions (GA-MLR) variable selection methods were subsequently employed to select and implement th...

The study reported here examined, as the research subject, surface soils in the Liuxin mining area of Xuzhou, and explored the heavy metal content and spectral data by establishing quantitative models with Multivariable Linear Regression (MLR), Generalized Regression Neural Network (GRNN) and Sequential Minimal Optimization for Support Vector Machine (SMO-SVM) methods. The study results are as ...